CID 157367757

C7H9NNaO — CID 157367757

IUPAC—
SMILESNC=O.[Na].c1ccccc1
InChIInChI=1S/C6H6.CH3NO.Na/c1-2-4-6-5-3-1;2-1-3;/h1-6H;1H,(H2,2,3);
InChIKeyBJJUYZXCDGHBIG-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.41
Rot. Bonds

About CID 157367757

CID 157367757 (PubChem CID 157367757) has the molecular formula C7H9NNaO and a molecular weight of 146.14 g/mol.

Molecular Properties

Compound NameCID 157367757
PubChem CID157367757
Molecular FormulaC7H9NNaO
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name—
SMILESNC=O.[Na].c1ccccc1
InChIInChI=1S/C6H6.CH3NO.Na/c1-2-4-6-5-3-1;2-1-3;/h1-6H;1H,(H2,2,3);
InChIKeyBJJUYZXCDGHBIG-UHFFFAOYSA-N
XLogP0.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 157367757?
The IUPAC name of CID 157367757 (CID 157367757) is not available.
What is the SMILES notation for CID 157367757?
The canonical SMILES for CID 157367757 is NC=O.[Na].c1ccccc1.
What is the InChIKey of CID 157367757?
The InChIKey is BJJUYZXCDGHBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH3NO.Na/c1-2-4-6-5-3-1;2-1-3;/h1-6H;1H,(H2,2,3);.
What are the key properties of CID 157367757?
CID 157367757 has a molecular weight of 146.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157367757 is sourced from PubChem (CID 157367757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).